SCHEMBL18286643

SCHEMBL18286643

COc1cc(-c2cncc(NC(C)c3ccc(O)cc3)n2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.60
FYN P06241 3/20 0.55
BRAF P15056 2/20 0.52
LDHA P00338 1/20 0.50
LDHB P07195 1/20 0.50
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
PFKFB3 Q16875 2/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
PIM3 Q86V86 1/20 0.41
PIK3CG P48736 1/20 0.41
CXCL12 P48061 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5205401 0.92 CSF1R (0.59) CSF1RFYNBRAFLDHALDHB
SCHEMBL5208271 0.92 FYN (0.67) CSF1RFYNBRAFLDHALDHB
SCHEMBL5934776 0.92 FYN (0.67) CSF1RFYNBRAFLDHALDHB
SCHEMBL5205798 0.91 CSF1R (0.65) CSF1RFYNBRAFLDHALDHB
SCHEMBL5208442 0.91 CSF1R (0.65) CSF1RFYNBRAFLDHALDHB
SCHEMBL12104596 0.88 CSF1R (0.66) CSF1RFYNBRAFLDHALDHB
SCHEMBL12064805 0.86 CCNC (0.53) CSF1RFYNBRAFCCNT1CDK9
SCHEMBL5208910 0.86 CSF1R (0.67) CSF1RFYNBRAFLDHALDHB
SCHEMBL18286644 0.84 CCNC (0.51) CSF1RFYNBRAFCCNT1CDK9
SCHEMBL12056827 0.84 CCNC (0.51) CSF1RFYNBRAFCCNT1CDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 EP disclosed